Abstract

The research results are presented in two parts. The first part presents data describing the general state of the problem of low-stability pre-transitional structural phase states in intermetallides of the Ni-Al system. Physical interpretations of low-stability structural phase states in condensed systems are described along with the applied physical-mathematical model based on a calculated block of 32x32x32 elementary cells (65536 atoms) of an ordered BCC structure (superstructure B2, Pearson symbol cP2). The study is carried out by Monte Carlo methods using the Metropolis algorithm for an intermetallic NiAl sample of stoichiometric composition (used as an example). It is found out that a kind of hysteresis is observed during thermal cycling. The presence of such hysteresis indicates the irreversibility of the occurring processes. This implies a difference in the structural phase states at the heating and cooling stages.
 The second part of the paper will demonstrate the results of a computer simulation of changes in structural phase states. The focus will be made on the low-stability pre-transitional structural phase states and energy characteristics of intermetallides образом with deviations from the stoichiometric composition of Ni45Al55 and Ni55Al45.

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